HMDB0040634 RDKit 3D Piperochromanoic acid 54 55 0 0 0 0 0 0 0 0999 V2000 -1.1158 -2.8264 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 -1.8165 1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 -2.1530 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9233 -0.9735 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1173 -1.1703 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7831 -0.1154 -1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0461 -0.3861 -2.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7113 0.5340 -2.7201 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5691 -1.6759 -2.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 1.1470 -1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0484 1.3436 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5729 2.6487 -0.6305 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 0.3037 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 0.4827 0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 -0.4539 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -0.1399 1.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 -0.2142 0.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 0.1403 1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 1.1587 1.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 1.3637 1.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 2.1228 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4622 2.1135 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 0.7418 -1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 0.0330 -1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9966 0.4852 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6809 -1.3340 -2.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 -3.8156 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 -2.6018 1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 -2.9760 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -2.5377 1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5505 -2.1457 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2345 -1.9136 -2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7905 1.9502 -1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 2.7988 -0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 -0.2320 2.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 0.8491 2.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0806 -0.8635 2.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4061 0.4333 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 -1.2178 0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 -0.5111 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4832 2.3018 1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 1.5549 3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6766 0.4807 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 3.1242 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4384 1.9450 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4023 2.3918 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1961 2.8156 -1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6949 0.2699 -1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1547 1.5592 -0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0935 0.0277 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8481 0.0314 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6672 -1.6924 -2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3173 -2.0226 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0202 -1.3637 -2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 3 24 25 1 0 24 26 1 0 15 2 1 0 13 4 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 5 31 1 0 9 32 1 0 10 33 1 0 12 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 25 49 1 0 25 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 26 54 1 0 M END